2-amino-6-(indazol-1-ylmethyl)benzoic acid

C15H13N3O2 — CID 104824957

IUPAC2-amino-6-(indazol-1-ylmethyl)benzoic acid
SMILESNc1cccc(Cn2ncc3ccccc32)c1C(=O)O
InChIInChI=1S/C15H13N3O2/c16-12-6-3-5-11(14(12)15(19)20)9-18-13-7-2-1-4-10(13)8-17-18/h1-8H,9,16H2,(H,19,20)
InChIKeyZWUCTSNHWLPGSD-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-6-(indazol-1-ylmethyl)benzoic acid

2-amino-6-(indazol-1-ylmethyl)benzoic acid (PubChem CID 104824957) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 2-amino-6-(indazol-1-ylmethyl)benzoic acid.

Molecular Properties

Compound Name2-amino-6-(indazol-1-ylmethyl)benzoic acid
PubChem CID104824957
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name2-amino-6-(indazol-1-ylmethyl)benzoic acid
SMILESNc1cccc(Cn2ncc3ccccc32)c1C(=O)O
InChIInChI=1S/C15H13N3O2/c16-12-6-3-5-11(14(12)15(19)20)9-18-13-7-2-1-4-10(13)8-17-18/h1-8H,9,16H2,(H,19,20)
InChIKeyZWUCTSNHWLPGSD-UHFFFAOYSA-N
XLogP2.37
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-6-(indazol-1-ylmethyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(indazol-1-ylmethyl)-2-methylaniline
CID 62141477
3-chloro-4-(indazol-1-ylmethyl)benzoic acid
CID 102670055
2-amino-6-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
CID 104824961
5-(indazol-1-ylmethyl)furan-3-carboxylic acid
CID 62267281
2-amino-6-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104825110
3-indazol-1-ylpropanoic acid
CID 805922
[5-(indazol-1-ylmethyl)furan-2-yl]methanol
CID 113372439
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
5-(indazol-1-ylmethyl)furan-2-carbohydrazide
CID 63578154
2-amino-6-[(1-oxo-1,4-thiazinan-4-yl)methyl]benzoic acid
CID 104824487
4-[2-(indazol-1-ylmethyl)phenyl]but-3-yn-1-ol
CID 62141899
5-amino-1-[(2-hydroxyphenyl)methyl]pyrazole-4-carboxylic acid
CID 115069637

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(indazol-1-ylmethyl)benzoic acid?
The IUPAC name of 2-amino-6-(indazol-1-ylmethyl)benzoic acid (CID 104824957) is 2-amino-6-(indazol-1-ylmethyl)benzoic acid.
What is the SMILES notation for 2-amino-6-(indazol-1-ylmethyl)benzoic acid?
The canonical SMILES for 2-amino-6-(indazol-1-ylmethyl)benzoic acid is Nc1cccc(Cn2ncc3ccccc32)c1C(=O)O.
What is the InChIKey of 2-amino-6-(indazol-1-ylmethyl)benzoic acid?
The InChIKey is ZWUCTSNHWLPGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-12-6-3-5-11(14(12)15(19)20)9-18-13-7-2-1-4-10(13)8-17-18/h1-8H,9,16H2,(H,19,20).
What are the key properties of 2-amino-6-(indazol-1-ylmethyl)benzoic acid?
2-amino-6-(indazol-1-ylmethyl)benzoic acid has a molecular weight of 267.29 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(indazol-1-ylmethyl)benzoic acid is sourced from PubChem (CID 104824957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).